1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-
TL;DR: 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- (CAS 20157-12-4) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1,3-benzodioxol-5-yl)hept-1-en-3-one
Also Known As: 1- -1-hepten-3-one, 1-(3,4-Methylenedioxyphenyl)-1-hepten-3-one, 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-, 1-HEPTEN-3-ONE, 1-(3,4-METHYLENEDIOXYPHENYL)-, 1-(2H-1,3-benzodioxol-5-yl)hept-1-en-3-one
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.1878 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 435.0935 |
Chemical Identifiers
| CAS Number | 20157-12-4 |
|---|---|
| SMILES | CCCCC(=O)/C=C/C1=CC2=C(C=C1)OCO2 |
Product Overview
1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- (CAS 20157-12-4), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: (E)-1-(1,3-benzodioxol-5-yl)hept-1-en-3-one.
Chemical Property Profile of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-
Property Insights of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-
The XLogP value of 3.1878 indicates that 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-?
The CAS number of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- is 20157-12-4.
What is the molecular formula of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-?
The molecular formula of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- is C14H16O3.
What is the molecular weight of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-?
The molecular weight of 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- is 232.11 g/mol.
Where can I buy 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-?
You can request a quote for 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.